4-fluoranyl-N-[phenyl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methylidene]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[phenyl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methylidene]benzenesulfonamide Openeye Name: N-[(4-benzylpiperazin-4-ium-1-yl)-phenyl-methylene]-4-fluoro-benzenesulfonamide CAS Name: 4-fluoro-N-[phenyl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methylidene]benzenesulfonamide IUPAC Name: N-[(4-benzylpiperazin-4-ium-1-yl)-phenylmethylidene]-4-fluorobenzenesulfonamide Traditional Name: N-[(4-benzylpiperazin-4-ium-1-yl)-phenyl-methylene]-4-fluoro-benzenesulfonamide Formula: C24H25FN3O2S+ MolecularWeight: 438.537603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C24H24FN3O2S/c25-22-11-13-23(14-12-22)31(29,30)26-24(21-9-5-2-6-10-21)28-17-15-27(16-18-28)19-20-7-3-1-4-8-20/h1-14H,15-19H2/p+1